Chemical Reaction Engineering - CHE 331
(3-0-0-3)
Lecture Instructor: Dr. Sri Sivakumar, NL II 204,
Email: srisiva@[Link]
Lab Instructor: Dr. Naveen Tiwari, FB 457, Email: naveent@[Link]
Course Evaluation
Evaluation for Lecture module Evaluation for Lab module
Mid Sem – 20 points Lab reports – 10 points
Quizes (2) – 20 points Lab Exam - 15 points
End Sem – 25 points Lab Attendance – 5 points
Attendance – 5 points
Note: A bonus of 10% marks is available for and innovation lab (optional)
Text books
Reference books
Syllabus
Syllabus
Syllabus
Syllabus
Introduction
Introduction – Liver on a Chip
Introduction
Introduction
Introduction
Chemical Reaction Engineering (CRE) is the field that studies the rates and
mechanisms of chemical reactions and the design of the reactors in which they take
place.
Introduction
Performance equation
Why is this important?
Because with this expression we can compare
different designs and conditions, find which is
best, and then scale up to larger units
Introduction
Introduction
Chemical Reaction Engineering (CRE) is the field that studies the rates and
mechanisms of chemical reactions and the design of the reactors in which they take
place.
Introduction
What is the success of a chemical plant?
The selection of a reaction system that operates in the safest and
most efficient manner can be the key to the economic success or
failure of n chemical plant.
Example: A reaction system produces n large amount of undesirable
product, subsequent purification and separation af the desired
product could make the entire prwess economically unfeasible.
Introduction
Chemical Identity
A chemical species is said to have reacted when it has lost its
chemical identity.
The identity of a chemical species is determined by the kind, number,
and configuration of that species’ atoms.
Introduction
A chemical species is said to have reacted when it has lost its
chemical identity.
There are three ways for a species to loose its identity:
1. Decomposition: CH3CH3 → H2 + H2C=CH2
2. Combination: N2 + O2 → 2 NO
3. Isomerization: C2H5CH=CH2 → CH2=C(CH3)2
Introduction
Conservation of mass during the chemical change
The rate of disappearance of a species A, is the number of A molecules that lose
their chemical identity per unit time per unit volume through the breaking and
subsequent re-forming of chemical bonds during the course of the reaction.
Introduction
Reaction Rate
Consider an isomerization reaction (Homogeneous reaction)
A→B
rA = the rate of formation of species A per unit volume
-rA = the rate of a disappearance of species A per unit volume
rB = the rate of formation of species B per unit volume
Introduction
Heterogeneous reaction (e.g. catalytic reaction)
For a catalytic reaction we refer to –rA’ , which is the rate of disappearance of
species A on a per mass of catalyst basis. (mol/gcat/s)
NOTE: dCA/dt is not the rate of reaction for all conditions. Why?
Introduction
What is a rate equation?
Consider species j:
1. rj is the rate of formation of species j per unit volume [e.g.
mol/dm3s]
2. rj is a function of concentration, temperature, pressure, and the
type of catalyst (if any)
3. rj is independent of the type of reaction system (batch, plug flow,
etc.)
4. rj is an algebraic equation, not a differential equation
(e.g. -rA = kCA or -rA = kCA2)
Chapter 1: Mole Balances and Types of Reactors
General Mole Balances System boundaries
System
must be specified
Volume, V
The volume enclosed by
these boundaries is
Fj0 Gj Fj referred to as the
system volume
Molar Flow Molar Flow Molar Rate Molar Rate
Rate of − Rate of + Generation = Accumulation Nj represents the
Species j in Species j out of Species j of Species j number of moles of
species j in the system
dN j
Fj 0 − Fj + Gj = at time t.
dt
mole mole mole mole Define Gj
− + =
time time time time
Chapter 1: Mole Balances and Types of Reactors
If spatially uniform: (all the system variable such as temperature, catalytic
activity, concentration of the chemical species) are spatially uniform throughout
the system volume
The rate of generation of species j, Gj. is just the product of the reaction
volume,V and the rate of formation of species j, r,.
G j = r jV
Chapter 1: Mole Balances and Types of Reactors
If NOT spatially uniform:
That is, it has a value rj1 at location 1, which is surrounded by a small volume,
ΔV1 , within which the rate is uniform:
Similarly, the reaction rate has a value rj2 at location 2 and an associated volume,
ΔV2
V1
V2
r j1
rj 2
G j1 = rj1V1
G j 2 = rj 2 V2
Chapter 1: Mole Balances and Types of Reactors
Chapter 1: Mole Balances and Types of Reactors
Chapter 1: Mole Balances and Types of Reactors
System
Volume, V
Fj0 Gj Fj
Chapter 1: Mole Balances and Types of Reactors
Development of the design equations:
Various types of industrial reactors: batch, semibatch. and
continuous-flow.
Upon evaluation of these equations we can determine the time
(batch) or reactor volume (continuous-flow) necessary to convert a
specified amount of the reactants into products.
Chapter 1: Mole Balances and Types of Reactors
Batch Reactor - Mole Balances • Small-scale operation
• New processes
• Manufacture of expensive products
• Processes that are difficult to convert into
continuous operations.
• Raw material charging – before the start of
reaction
• Product discharge
• High conversion
• High labour cost, reproducibility, large
scale production
Chapter 1: Mole Balances and Types of Reactors
dN A
FA0 − FA + rA dV =
dt
FA0 = FA = 0
Well-Mixed r dV
A = rAV
dN A
= rAV
dt
Chapter 1: Mole Balances and Types of Reactors
dN A
Integrating dt =
rAV
t = 0 N A = N A0
when
t = t NA = NA
NA
dN A
t=
N A0
− rAV
We might ask what time. t1 is necessary to reduce the Time necessary to reduce the number
initial number of molesfrom NAo to a final desired of moles of A from NA0 to NA.
number NA1
Chapter 1: Mole Balances and Types of Reactors
Continuous-Flow Reactors
PBR
PFR
CSTR
Chapter 1: Mole Balances and Types of Reactors
Continuous-stirred tank reactor (CSTR) or back mix reactor – Liquid
phase reactions
Operated at Steady state (no time dependence or position dependence of the
temperature, the concentration, or the reaction rate
Perfect mixing
Every variable in the same at every point inside the reactor
Temperature and concentration in the exit stream are modeled as being the same
as those inside the reactor
Chapter 1: Mole Balances and Types of Reactors
dN A
CSTR - Mole Balances FA 0 − FA + rA dV =
dt
Steady State dN A
=0
dt
Well Mixed r dV = r V
A A
A 0 − FA + rAV = 0
F
FA 0 − FA
V=
−rA
CSTR volume necessary to reduce the molar flow
rate from FA0 to FA.
Chapter 1: Mole Balances and Types of Reactors
Chapter 1: Mole Balances and Types of Reactors
Plug Flow Reactor - Mole Balances Cylindrical pipe, steady state, gas
V phase reaction,
Concentration varies continuously
FA FA only in the axial direction (reactant is
consumed)
Reaction rate (function of
V + V
V concentration) for all but zero-order
reactions, will also vary axially.
In Out Generation
at V − at V + V + in V =0
We consider systems in which the
flow field may be modeled by that of
a plug flow profile (eg.. uniform
FA V − FA V + V + rA V =0 velocity as in turbulent flow)
Chapter 1: Mole Balances and Types of Reactors
Design equations (Two ways):
1) Directly from the below Equation by differentiating with respect to volume V
dN A
FA 0 − FA + rA dV =
dt
2) From the mole balance on species j in a differential segment of the reactor
volume ΔV.
We are deriving by second way
Chapter 1: Mole Balances and Types of Reactors
In Out Generation
at V − at V + V + in V =0
FA V − FA V + V + rA V =0
Rearrange and take limit as ΔV→0
FA V + V − FA V
lim = rA
V →0 V
dFA
= rA
dV
This is the volume necessary to reduce the entering molar flow rate (mol/s) from
FA0 to the exit molar flow rate of FA.
Chapter 1: Mole Balances and Types of Reactors
Irregular Shape Reactor
Results into the same equation
The degree of completion of reaction
dFA does not depend on
= rA
dV Its shape. Depends only on volume
Chapter 1: Mole Balances and Types of Reactors
Consider the isomerization reaction
dN A
FA0 − FA + rA dV =
dt
dN A
Steady State =0
dt
FA0 − FA + rA dV = 0
Chapter 1: Mole Balances and Types of Reactors
Differientiate with respect to V
What is the reactor volume V, necessary
dFA to reduce the entering molar flow rare of
0− = −rA A from FA to FA0?
dV
FA
dFA
The integral form is: V=
FA 0
rA
This is the volume necessary to reduce the entering molar flow rate (mol/s) from
FA0 to the exit molar flow rate of FA.
Chapter 1: Mole Balances and Types of Reactors
Packed Bed Reactor - Mole Balances
W
FA FA
W W + W
dN A
FA (W ) − FA (W + W ) + rA W =
dt
Steady State dN A
=0
dt
FA W + W − FA W
lim = rA
W →0 W
Chapter 1: Mole Balances and Types of Reactors
Rearrange:
dFA
= rA
dW
The integral form to find the catalyst weight is:
FA
dFA
W =
FA 0
rA
PBR catalyst weight necessary to reduce the entering molar flow
rate FA0 to molar flow rate FA.
Chapter 1: Mole Balances and Types of Reactors
Reactor Mole Balances Summary
The GMBE applied to the four major reactor types (and the general reaction
A→B)
Reactor Differential Algebraic Integral
NA NA
dN A
Batch dN A
= rAV t=
dt rV
N A0 A
t
CSTR FA 0 − FA
V=
−rA FA
FA
dFA dFA
PFR = rA V=
dV FA 0
drA
V
FA FA
PBR dFA dFA
dW
= rA W=
FA 0
rA
W
Chapter 1: Mole Balances and Types of Reactors
Chapter 1: Mole Balances and Types of Reactors
Chapter 1: Mole Balances and Types of Reactors
Chapter 1: Mole Balances and Types of Reactors
Chapter 1: Mole Balances and Types of Reactors
Chapter 1: Mole Balances and Types of Reactors